L126-0563 Screening compound: N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(4-methylphenyl)-N~1~-[2-(piperazinosulfonyl)ethyl]acetamide

L126-0563 Screening compound: N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(4-methylphenyl)-N~1~-[2-(piperazinosulfonyl)ethyl]acetamide
L126-0563 Screening compound: N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(4-methylphenyl)-N~1~-[2-(piperazinosulfonyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L126-0563
N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(4-methylphenyl)-N~1~-[2-(piperazinosulfonyl)ethyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L126-0563

Molecular Formula

C22H36N4O3S (C22 H36 N4 O3 S)

Compound Name

N~1~-[(1-ethyl-2-pyrrolidinyl)methyl]-2-(4-methylphenyl)-N~1~-[2-(piperazinosulfonyl)ethyl]acetamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(4-methylphenyl)-N-[2-(piperazine-1-sulfonyl)ethyl]acetamide

SMILES

CCN1C(CN(CCS(N2CCNCC2)(=O)=O)C(Cc2ccc(C)cc2)=O)CCC1

InChI

InChI=1S/C22H36N4O3S/c1-3-24-12-4-5-21(24)18-25(22(27)17-20-8-6-19(2)7-9-20)15-16-30(28,29)26-13-10-23-11-14-26/h6-9,21,23H,3-5,10-18H2,1-2H3

InChI Key

QZDWOUAGGQQVES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234216

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

436.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.929

Distribution Coefficient, logD

0.115

Water Solubility, LogSw

-2.12

Polar Surface Area

63.373

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.18

L126-0563 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L126-0563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L126-0563?
Check Price and Availability of L126-0563, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L126-0563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L126-0563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L126-0563
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L126-0563 available by request